7-[[5-(1,3-benzodioxol-5-yloxy)-4-oxidanyl-pentyl]-sulfo-amino]hept-5-ynoic acid

Systemtic Name: 7-[[5-(1,3-benzodioxol-5-yloxy)-4-oxidanyl-pentyl]-sulfo-amino]hept-5-ynoic acid Openeye Name: 7-[[5-(1,3-benzodioxol-5-yloxy)-4-hydroxy-pentyl]-sulfo-amino]hept-5-ynoic acid CAS Name: 7-[[5-(1,3-benzodioxol-5-yloxy)-4-hydroxypentyl]-sulfoamino]-5-heptynoic acid IUPAC Name: 7-[[5-(1,3-benzodioxol-5-yloxy)-4-hydroxypentyl]-sulfoamino]hept-5-ynoic acid Traditional Name: 7-[[5-(1,3-benzodioxol-5-yloxy)-4-hydroxy-pentyl]-sulfo-amino]hept-5-ynoic acid Formula: C19H25NO9S MolecularWeight: 443.4681

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)OCC(CCCN(CC#CCCCC(=O)O)S(=O)(=O)O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)OCC(CCCN(CC#CCCCC(=O)O)S(=O)(=O)O)O

InChI

InChI=1S/C19H25NO9S/c21-15(13-27-16-8-9-17-18(12-16)29-14-28-17)6-5-11-20(30(24,25)26)10-4-2-1-3-7-19(22)23/h8-9,12,15,21H,1,3,5-7,10-11,13-14H2,(H,22,23)(H,24,25,26)